2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline

C9H9N3O — CID 13409712

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nnc(-c2ccccc2N)o1
InChIInChI=1S/C9H9N3O/c1-6-11-12-9(13-6)7-4-2-3-5-8(7)10/h2-5H,10H2,1H3
InChIKeyMHYGUGBTOPYBBG-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.63
Rot. Bonds1

About 2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline

2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 13409712) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID13409712
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nnc(-c2ccccc2N)o1
InChIInChI=1S/C9H9N3O/c1-6-11-12-9(13-6)7-4-2-3-5-8(7)10/h2-5H,10H2,1H3
InChIKeyMHYGUGBTOPYBBG-UHFFFAOYSA-N
XLogP1.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4'-(1,3,4-Oxadiazole-2,5-diyl)dianiline
CID 75505
2-[5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 2799937
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 818368
2-(2-Nitrophenyl)-5-phenyl-1,3,4-oxadiazole
CID 5150389
5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 712042
Methyl phenyl-1,3,4-oxadiazole
CID 138101
4-[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 974925
2,5-Bis(2-aminophenyl)-1,3,4-oxadiazole
CID 29650
2-[5-(4-Phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 2306153
N-(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl) benzamide
CID 71458829
2-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 4204120
2-(Chloromethyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
CID 788667

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (CID 13409712) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is Cc1nnc(-c2ccccc2N)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is MHYGUGBTOPYBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-11-12-9(13-6)7-4-2-3-5-8(7)10/h2-5H,10H2,1H3.
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 175.19 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 13409712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).